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CIF Information Card
Information card for 7205818
7205817 << 7205818 >> 7205819Preview
|
Coordinates |
7205818.cif |
Structure parameters
| Formula | - C44 H56 N4 Ni4 O22 - |
| Calculated formula | - C44 H56 N4 Ni4 O22 - |
| Title of publication | Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH) |
| Authors of publication | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 8 |
| Pages of publication | 2915 |
| a | 18.0337 ± 0.0019 Å |
| b | 20.674 ± 0.002 Å |
| c | 14.831 ± 0.0016 Å |
| α | 90° |
| β | 109.676 ± 0.002° |
| γ | 90° |
| Cell volume | 5206.6 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0628 |
| Residual factor for observed reflections | 0.0452 |
| Weighted residual factors for the observed reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| Goodness-of-fit parameter for observed reflections | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |